SCHEMBL12083746

SCHEMBL12083746

Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1cc(C#N)c2cc(F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 6/20 0.59
▸ MAP4K4 O95819 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ XDH P47989 3/20 0.39
▸ AR P10275 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CSNK1D P48730 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12083584 0.88 HPGDS (0.74) HPGDSMAP4K4CSNK1DCYP1A2CYP2C9
SCHEMBL3217969 0.86 HPGDS (0.61) HPGDSMAP4K4CSNK1DCYP1A2CYP2C9
SCHEMBL12083963 0.86 HPGDS (0.55) HPGDSMAP4K4GRM5XDHCSNK1D
SCHEMBL3222021 0.86 HPGDS (0.60) HPGDSMAP4K4CSNK1D
SCHEMBL14313322 0.85 HPGDS (0.42) HPGDSMAP4K4GRM5XDHAR
SCHEMBL3226414 0.84 HPGDS (0.59) HPGDSMAP4K4GRM5CSNK1DCYP1A2
SCHEMBL3226638 0.83 HPGDS (0.58) HPGDSMAP4K4GRM5CSNK1DCYP1A2
SCHEMBL3231354 0.83 HPGDS (0.57) HPGDSMAP4K4CSNK1DCYP1A2CYP2C9
SCHEMBL12083725 0.83 HPGDS (0.61) HPGDSMAP4K4GRM5CSNK1D
SCHEMBL12083747 0.82 HPGDS (0.56) HPGDSMAP4K4CSNK1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 — — US disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 HPGDS 10/4885MAP4K4 2134/4885GRM5 932/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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